Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:02:46 UTC
Update Date2025-03-21 18:07:21 UTC
HMDB IDHMDB0302366
Metabolite Identification
DeepMet IDDMID00068772
Name1-Methylthiopentan-3-one
Frequency44.0
Structure
Chemical FormulaC6H12OS
Molecular Mass132.0609
SMILESCCC(=O)CCSC
InChI KeyLEZZIANNWFYCND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • hydrocarbon derivative
  • organosulfur compound